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3SC3
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BU of 3sc3 by Molmil
Crystal structure of a Putative DNA replication regulator Hda (Sama_1916) from SHEWANELLA AMAZONENSIS SB2B at 3.00 A resolution
分子名称: Putative DNA replication regulator Hda, SULFATE ION
著者Joint Center for Structural Genomics (JCSG)
登録日2011-06-06
公開日2011-07-13
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献Crystal structure of a Putative DNA replication regulator Hda (Sama_1916) from SHEWANELLA AMAZONENSIS SB2B at 3.00 A resolution
To be published
2KG0
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BU of 2kg0 by Molmil
Structure of the second qRRM domain of hnRNP F in complex with a AGGGAU G-tract RNA
分子名称: 5'-R(*AP*GP*GP*GP*AP*U)-3', Heterogeneous nuclear ribonucleoprotein F
著者Allain, F.H.T, Dominguez, C.
登録日2009-03-02
公開日2010-06-09
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural basis of G-tract recognition and encaging by hnRNP F quasi-RRMs.
Nat.Struct.Mol.Biol., 17, 2010
6I7D
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BU of 6i7d by Molmil
Plasmodium falciparum Myosin A, post-rigor and rigor-like states
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Myosin-A
著者Robert-Paganin, J, Auguin, D, Moussaoui, D, Jousset, G, Baum, J, Trybus, K.M, Houdusse, A.
登録日2018-11-16
公開日2019-08-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism.
Nat Commun, 10, 2019
6I4K
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BU of 6i4k by Molmil
Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Ca-ATP state
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
4E3H
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BU of 4e3h by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION, ...
著者Cohen, S.M, Martin, D.P.
登録日2012-03-09
公開日2012-06-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
8GOM
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BU of 8gom by Molmil
SARS-CoV-2 specific private TCR RLQ7 in complex with RLQ-HLA-A2
分子名称: Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 specific private TCR RLQ7 alpha, ...
著者Wu, D, Mariuzza, R.A.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.783 Å)
主引用文献Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor (TCR) diversity.
J.Biol.Chem., 299, 2023
3SFU
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BU of 3sfu by Molmil
crystal structure of murine norovirus RNA dependent RNA polymerase in complex with ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, GLYCEROL, MAGNESIUM ION, ...
著者Kim, K.H, Alam, I.
登録日2011-06-14
公開日2012-05-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structures of murine norovirus-1 RNA-dependent RNA polymerase in complex with 2-thiouridine or ribavirin.
Virology, 426, 2012
8GON
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BU of 8gon by Molmil
SARS-CoV-2 specific private TCR RLQ7 in complex with RLQ-T1006I-HLA-A2
分子名称: Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 specific private TCR RLQ7 alpha, ...
著者Wu, D, Mariuzza, R.A.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural insights into protection against a SARS-CoV-2 spike variant by T cell receptor (TCR) diversity.
J.Biol.Chem., 299, 2023
6I1U
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BU of 6i1u by Molmil
Human Carbonic Anhydrase II in complex with 4-Ethoxybenzenesulfonamide
分子名称: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2018-10-30
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6I3E
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BU of 6i3e by Molmil
Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide
分子名称: 4-butoxybenzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ...
著者Gloeckner, S, Ngo, K, Heine, A, Klebe, G.
登録日2018-11-05
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Acs Chem.Biol., 15, 2020
6AI8
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BU of 6ai8 by Molmil
Cab2 mutant-H337A
分子名称: GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
2K5R
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BU of 2k5r by Molmil
Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
分子名称: uncharacterized protein XF2673
著者Tang, Y, Wang, H, Jiang, M, Maglaqui, M, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-30
公開日2008-08-26
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of XF2673 from Xylella fastidiosa. Northeast Structural Genomics Consortium Target XfR39
To be Published
6I4J
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BU of 6i4j by Molmil
Crystal Structure of Plasmodium falciparum actin I (F54Y mutant) in the Mg-ADP state
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin-1, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6I4L
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BU of 6i4l by Molmil
Crystal Structure of Plasmodium falciparum actin I (G115A mutant) in the Mg-K-ATP/ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin-1, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6I7S
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BU of 6i7s by Molmil
Microsomal triglyceride transfer protein
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
著者Biterova, E, Isupov, M.N, Keegan, R.M, Lebedev, A.A, Ruddock, L.W.
登録日2018-11-17
公開日2019-08-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of human microsomal triglyceride transfer protein.
Proc.Natl.Acad.Sci.USA, 116, 2019
3MDG
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BU of 3mdg by Molmil
Crystal Structure of the 25kDa Subunit of Human Cleavage factor Im in complex with RNA UUGUAU
分子名称: Cleavage and polyadenylation specificity factor subunit 5, GLYCEROL, RNA (5'-R(*UP*UP*GP*UP*AP*U)-3')
著者Yang, Q, Gilmartin, G.M, Doublie, S.
登録日2010-03-30
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural basis of UGUA recognition by the Nudix protein CFI(m)25 and implications for a regulatory role in mRNA 3' processing.
Proc.Natl.Acad.Sci.USA, 107, 2010
6I36
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BU of 6i36 by Molmil
SIXTY MINUTES IRON LOADED FROG M FERRITIN
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2018-11-05
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Time-Lapse Anomalous X-Ray Diffraction Shows How Fe(2+) Substrate Ions Move Through Ferritin Protein Nanocages To Oxidoreductase Sites.
Acta Crystallogr.,Sect.D, 71, 2015
6I4F
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BU of 6i4f by Molmil
Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP state
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6UK2
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BU of 6uk2 by Molmil
Complex of T cell Receptor with HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206
分子名称: 302 TIL T cell receptor alpha chain, 302 TIL T cell receptor beta chain, Beta-2-microglobulin, ...
著者Devlin, J.R, Baker, B.M.
登録日2019-10-04
公開日2020-08-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.138808 Å)
主引用文献Structural dissimilarity from self drives neoepitope escape from immune tolerance.
Nat.Chem.Biol., 16, 2020
4QG7
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BU of 4qg7 by Molmil
S.aureus TMK in complex with a potent inhibitor compound 18, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
分子名称: 2-(3-chlorophenoxy)-3-methoxy-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}benzoic acid, Thymidylate kinase
著者Olivier, N.B.
登録日2014-05-22
公開日2014-06-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
J.Med.Chem., 57, 2014
6I4D
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BU of 6i4d by Molmil
Crystal Structure of Plasmodium falciparum actin I in the Mg-K-ATP/ADP state
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
4DVF
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BU of 4dvf by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-8-(2-METHYLPROPYL)-15-(3-[(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE
著者Xu, Y.C, Chen, W.Y, Li, L, Chen, T.T.
登録日2012-02-23
公開日2013-01-16
最終更新日2021-09-15
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
3MDI
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BU of 3mdi by Molmil
Crystal Structure of the 25kDa Subunit of Human Cleavage factor Im in complex with RNA UGUAAA
分子名称: Cleavage and polyadenylation specificity factor subunit 5, GLYCEROL, RNA (5'-R(*UP*GP*UP*AP*AP*A)-3')
著者Yang, Q, Gilmartin, G.M, Doublie, S.
登録日2010-03-30
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis of UGUA recognition by the Nudix protein CFI(m)25 and implications for a regulatory role in mRNA 3' processing.
Proc.Natl.Acad.Sci.USA, 107, 2010
2K52
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BU of 2k52 by Molmil
Structure of uncharacterized protein MJ1198 from Methanocaldococcus jannaschii. Northeast Structural Genomics Target MjR117B
分子名称: Uncharacterized protein MJ1198
著者Rossi, P, Maglaqui, M, Foote, E.L, Hamilton, K, Ciccosanti, C, Xiao, R, Nair, R, Swapna, G, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2008-06-24
公開日2008-07-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of uncharacterized protein MJ1198 from Methanocaldococcus jannaschii. Northeast Structural Genomics Target MjR117B
To be Published
4DZY
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BU of 4dzy by Molmil
Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/(S)-2-chloro-3-phenylpropanoic acid complex with ADP
分子名称: (S)-2-chloro-3-phenylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T.
登録日2012-03-01
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013

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